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CHEBI:69499 - Bergenin

ChEBI IDCHEBI:69499
ChEBI NameBergenin
Stars
DefinitionA natural product found in Cenostigma gardnerianum.
Secondary ChEBI IDCHEBI:3069
Last Modified22 September 2014
DownloadsMolfile
FormulaC14H16O9
Net Charge0
Average Mass328.273
Monoisotopic Mass328.07943
SMILES[H][C@@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])OC(=O)c1cc(O)c(OC)c(O)c12
InChIInChI=1S/C14H16O9/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12/h2,6,8,10,12-13,15-19H,3H2,1H3/t6-,8-,10+,12+,13-/m1/s1
InChIKeyYWJXCIXBAKGUKZ-HJJNZUOJSA-N
Species of MetaboliteComponentSourceComments
Cenostigma gardnerianum (ncbitaxon:397175) stem (BTO:0001300) PubMed (21939182) Previous component: stem bark;
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Bergenin (CHEBI:69499) has role metabolite (CHEBI:25212)
Bergenin (CHEBI:69499) is a trihydroxybenzoic acid (CHEBI:27115)
Synonyms  Source
BergeninKEGG COMPOUND
(2R,3S,4S,4aR,10bS)-3,4,8,10-Tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2H)-oneChEBI
CuscutinChEBI
Manual XrefsDatabases
C09919KEGG COMPOUND
D01040KEGG DRUG
C00002981KNApSAcK
Registry NumbersSources
CAS:477-90-7KEGG COMPOUND
CAS:477-90-7ChemIDplus
Citations